(E)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O3/c1-10-8-13(16(2)15-10)14(18)7-6-11-4-3-5-12(9-11)17(19)20/h3-9H,1-2H3/b7-6+